SCHEMBL8973131

SCHEMBL8973131

O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.74
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
KCNH3 Q9ULD8 1/20 0.63
MAPT P10636 4/20 0.61
ALDH1A1 P00352 2/20 0.61
HSP90AA1 P07900 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 2/20 0.53
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 1/20 0.53
POLB P06746 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8913032 0.97 ABCG2 (0.70) ABCG2MEN1KMT2AKCNH3MAPT
SCHEMBL25495162 0.91 MEN1 (0.75) ABCG2MEN1KMT2AKCNH3MAPT
SCHEMBL10642180 0.79 MEN1 (0.60) ABCG2MEN1KMT2AKCNH3MAPT
SCHEMBL14367207 0.79 AGPAT2 (0.54) ABCG2MEN1KMT2AKCNH3MAPT
SCHEMBL27256159 0.79 KMT2A (0.73) ABCG2MEN1KMT2AKCNH3MAPT
SCHEMBL9503939 0.78 MEN1 (0.59) ABCG2MEN1KMT2AKCNH3MAPT
SCHEMBL5031319 0.78 NFKB1 (0.56) ABCG2MEN1KMT2AMAPTALDH1A1
SCHEMBL26170078 0.77 KCNH3 (0.64) ABCG2MEN1KMT2AKCNH3MAPT
SCHEMBL395942 0.77 HPGD (0.83) MEN1KMT2AKCNH3MAPTALDH1A1
SCHEMBL18289622 0.77 HPGD (0.83) MEN1KMT2AKCNH3MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561131-A INCREASING THE WOOL GROWTH BY ADMINISTERING AN ANTIPROTOZOA AGENT TO SHEEP MALLINCKRODT VETERINARY, INC. (US) 1996-10-01 US disclosed
EP-0661976-A1 DEFAUNATION METHOD MALLINCKRODT VETERINARY LIMITED (AU) 1995-07-12 EP disclosed
EP-0661976-A4 DEFAUNATION METHOD. MALLINCKRODT VETERINARY LTD (AU) 1994-07-20 EP disclosed
WO-1993002680-A1 DEFAUNATION METHOD PITMAN-MOORE AUSTRALIA LIMITED (AU) 1993-02-18 WO disclosed
EP-0145656-B1 CATIONIC COMPOUNDS CIBA-GEIGY AG (CH) 1989-12-13 EP disclosed
US-4652645-A TRIAZINE DYES CIBA-GEIGY CORPORATION (US) 1987-03-24 US disclosed
EP-0145656-A2 Cationic compounds CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed